3,5-Dichlorophenoxyacetonitrile
TL;DR: 3,5-Dichlorophenoxyacetonitrile (CAS 103140-12-1) is a chemical compound with molecular formula C8H5Cl2NO and molecular weight 200.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dichlorophenoxy)acetonitrile
Also Known As: 2-(3,5-dichlorophenoxy)acetonitrile, 3,5-Dichlorophenoxyacetonitrile, Maybridge1_008353, Methylcarboxyphosphonsaeure, (3,5-dichlorophenoxy)acetonitrile
| Molecular Formula | C8H5Cl2NO |
|---|---|
| Molecular Weight | 200.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.97482 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 103140-12-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)OCC#N |
| InChIKey | PNROREDTZJCOHF-UHFFFAOYSA-N |
Product Overview
3,5-Dichlorophenoxyacetonitrile (CAS 103140-12-1), with molecular formula C8H5Cl2NO and molecular weight 200.97 g/mol. IUPAC: 2-(3,5-dichlorophenoxy)acetonitrile.
Chemical Property Profile of 3,5-Dichlorophenoxyacetonitrile
Property Insights of 3,5-Dichlorophenoxyacetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichlorophenoxyacetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3,5-Dichlorophenoxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorophenoxyacetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dichlorophenoxyacetonitrile?
The CAS number of 3,5-Dichlorophenoxyacetonitrile is 103140-12-1.
What is the molecular formula of 3,5-Dichlorophenoxyacetonitrile?
The molecular formula of 3,5-Dichlorophenoxyacetonitrile is C8H5Cl2NO.
What is the molecular weight of 3,5-Dichlorophenoxyacetonitrile?
The molecular weight of 3,5-Dichlorophenoxyacetonitrile is 200.97 g/mol.
Where can I buy 3,5-Dichlorophenoxyacetonitrile?
You can request a quote for 3,5-Dichlorophenoxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorophenoxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorophenoxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.